1.0 2016-09-30 22:55:10 UTC 2020-04-22 15:10:57 UTC BMDB0002404 BMDB02404 Alpha-Hydroxyhippuric acid 2-(Benzoylamino)-2-hydroxyacetic acid 2-Benzamidooxyacetic acid alpha-Hydroxybenzoylglycine 2-(Benzoylamino)-2-hydroxyacetate 2-Benzamidooxyacetate a-Hydroxybenzoylglycine Α-hydroxybenzoylglycine a-Hydroxyhippate a-Hydroxyhippic acid alpha-Hydroxyhippate alpha-Hydroxyhippic acid Α-hydroxyhippate Α-hydroxyhippic acid (benzoylamino)Hydroxyacetic acid a-Hydroxyhippuric acid Benzamidohydroxyacetic acid 2-benzamido-2-hydroxyacetic acid C9H9NO4 195.1721 195.053157781 2-hydroxy-2-(phenylformamido)acetic acid α-hydroxybenzoylglycine 16555-77-4 OC(NC(=O)C1=CC=CC=C1)C(O)=O InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) GCWCVCCEIQXUQU-UHFFFAOYSA-N belongs to the class of organic compounds known as hippuric acids. Hippuric acids are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Hippuric acids Alkanolamines Alpha hydroxy acids and derivatives Benzoyl derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Secondary carboxylic acid amides Alkanolamine Alpha-amino acid or derivatives Alpha-hydroxy acid Aromatic homomonocyclic compound Benzoyl Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Hippuric acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Secondary carboxylic acid amide Aromatic homomonocyclic compounds N-acyl-amino acid Solid logp 0.02 ALOGPS logs -1.45 ALOGPS logp 0.24 ChemAxon pka_strongest_acidic 2.97 ChemAxon pka_strongest_basic -2.4 ChemAxon iupac 2-hydroxy-2-(phenylformamido)acetic acid ChemAxon average_mass 195.1721 ChemAxon mono_mass 195.053157781 ChemAxon smiles OC(NC(=O)C1=CC=CC=C1)C(O)=O ChemAxon formula C9H9NO4 ChemAxon inchi InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14) ChemAxon inchikey GCWCVCCEIQXUQU-UHFFFAOYSA-N ChemAxon polar_surface_area 86.63 ChemAxon refractivity 47.32 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 1765 Specdb::MsIr 1766 Specdb::MsIr 1767 Specdb::NmrTwoD 1825 Specdb::CMs 19296 Specdb::CMs 38413 Specdb::CMs 148923 Specdb::NmrOneD 1888 Specdb::NmrOneD 149280 Specdb::NmrOneD 149281 Specdb::NmrOneD 149282 Specdb::NmrOneD 149283 Specdb::NmrOneD 149284 Specdb::NmrOneD 149285 Specdb::NmrOneD 149286 Specdb::NmrOneD 149287 Specdb::NmrOneD 149288 Specdb::NmrOneD 149289 Specdb::NmrOneD 149290 Specdb::NmrOneD 149291 Specdb::NmrOneD 149292 Specdb::NmrOneD 149293 Specdb::NmrOneD 149294 Specdb::NmrOneD 149295 Specdb::NmrOneD 149296 Specdb::NmrOneD 149297 Specdb::NmrOneD 149298 Specdb::NmrOneD 149299 Specdb::MsMs 2101 Specdb::MsMs 2102 Specdb::MsMs 2103 Specdb::MsMs 308872 Specdb::MsMs 308873 Specdb::MsMs 308874 Specdb::MsMs 353167 Specdb::MsMs 353168 Specdb::MsMs 353169 Specdb::MsMs 2235824 Specdb::MsMs 2237569 Specdb::MsMs 2237887 Specdb::MsMs 2239674 Specdb::MsMs 2240036 Specdb::MsMs 2241693 Specdb::MsMs 2242126 Specdb::MsMs 2243730 Specdb::MsMs 2250343 Specdb::MsMs 2252066 Specdb::MsMs 2252576 Specdb::MsMs 2253896 Specdb::MsMs 2254629 Specdb::MsMs 2255956 Specdb::MsMs 2258026 Specdb::MsMs 2473352 FDB022997 396607 450272 68451 6667 Fukuoka, Masamichi; Kiyohara, Tuyoshi; Kobayashi, Tetsu; Kojima, Shuji; Tanaka, Akira; Kubodera, Akiko. Synthesis and preclinical evaluation of technetium-99m-labeled hippurate analogs. Nuclear Medicine and Biology (1995), 22(2), 181-91.